SCHEMBL7540240

SCHEMBL7540240

COc1ccc(S(=O)(=O)c2ccc(NS(=O)(=O)C(F)(F)F)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 2/20 0.52
PTPN1 P18031 1/20 0.52
MAPT P10636 6/20 0.49
LMNA P02545 5/20 0.49
MAPK1 P28482 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
TDP1 Q9NUW8 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
ABCC9 O60706 1/20 0.47
ABCC8 Q09428 1/20 0.47
KCNJ11 Q14654 1/20 0.47
KCNJ8 Q15842 1/20 0.47
PKM P14618 2/20 0.46
ALDH1A1 P00352 5/20 0.46
POLB P06746 1/20 0.46
PTGS1 P23219 2/20 0.45
PTGS2 P35354 2/20 0.45
SLC22A12 Q96S37 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6674427 0.87 ALDH3A1 (0.60) ALDH3A1MAPTLMNAMAPK1SMN1; SMN2
SCHEMBL7535114 0.85 PTPN1 (0.46) ALDH3A1PTPN1MAPTLMNAMAPK1
SCHEMBL7537195 0.85 ALDH3A1 (0.56) ALDH3A1MAPTLMNAMAPK1SMN1; SMN2
SCHEMBL7540163 0.84 MAPT (0.48) ALDH3A1PTPN1MAPTLMNAMAPK1
SCHEMBL7533314 0.81 KEAP1 (0.60) ALDH3A1MAPTLMNAMAPK1SMN1; SMN2
SCHEMBL4615874 0.79 PKM (0.51) ALDH3A1PTPN1MAPTLMNAMAPK1
SCHEMBL7536269 0.78 PKM (0.61) ALDH3A1PTPN1MAPTLMNAMAPK1
SCHEMBL32670705 0.77 MEN1 (0.55) ALDH3A1MAPTLMNAMAPK1SMN1; SMN2
SCHEMBL7534749 0.77 VCAM1 (0.73) ALDH3A1PTPN1MAPTLMNAMAPK1
SCHEMBL21708265 0.76 MAPT (0.62) ALDH3A1MAPTLMNAMAPK1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020013496-A1 Benzene compounds as antiproliferative and cholesterol lowering agents AMGEN INC. 2002-01-31 US claimed
EP-1005453-A1 SUBSTITUTED BENZENE COMPOUNDS AS ANTIPROLIFERATIVE AND CHOLESTEROL LOWERING AGENTS TULARIK, INC. (US) 2000-06-07 EP claimed
WO-1999010320-A1 SUBSTITUTED BENZENE COMPOUNDS AS ANTIPROLIFERATIVE AND CHOLESTEROL LOWERING AGENTS TULARIK INC. (US) 1999-03-04 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020013496-A1 Benzene compounds as antiproliferative and cholesterol lowering agents CYP46A1, TGFB1, NR1H2 ALDH3A1 3070/4885PTPN1 376/4885MAPT 2283/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.